2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid

C10H15N3O6 — CID 66076379

IUPAC2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H15N3O6/c1-10(2)8(18)12-6(15)3-13(10)9(19)11-5(4-14)7(16)17/h5,14H,3-4H2,1-2H3,(H,11,19)(H,16,17)(H,12,15,18)
InChIKeySTTJBBLMGWYRNI-UHFFFAOYSA-N
MW273.25 g/mol
LogP-2.12
Rot. Bonds3

About 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid

2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 66076379) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID66076379
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H15N3O6/c1-10(2)8(18)12-6(15)3-13(10)9(19)11-5(4-14)7(16)17/h5,14H,3-4H2,1-2H3,(H,11,19)(H,16,17)(H,12,15,18)
InChIKeySTTJBBLMGWYRNI-UHFFFAOYSA-N
XLogP-2.12
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107840352
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid
CID 66067482
2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 113463021
4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073778
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-methylpropanoic acid
CID 66073616
(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63606784
4-(4-amino-2-methylbutanoyl)-3,3-dimethylpiperazine-2,6-dione
CID 80545098
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
4-but-2-ynoyl-3,3-dimethylpiperazine-2,6-dione
CID 107989921
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid
CID 63606952
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
3,3-dimethyl-4-[3-(propan-2-ylamino)propanoyl]piperazine-2,6-dione
CID 66074617

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid (CID 66076379) is 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid is CC1(C)C(=O)NC(=O)CN1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is STTJBBLMGWYRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-10(2)8(18)12-6(15)3-13(10)9(19)11-5(4-14)7(16)17/h5,14H,3-4H2,1-2H3,(H,11,19)(H,16,17)(H,12,15,18).
What are the key properties of 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 273.25 g/mol, XLogP of -2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 66076379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).